Cu在TaN(111)表面团聚行为的分子动力学模拟

原子层沉积(ALD) 是下一代超大规模集成电路的首选工艺, 但是Cu籽晶层在阻挡层上的团聚限制了ALD工艺在半导体工业中的应用.目前对Cu在阻挡层TaN表面的团聚机理和行为还缺乏足够的理论认识, 为此利用第一性原理密度泛函理论(DFT) 对不同覆盖度下Cu原子在TaN (111) 表面的吸附能和电荷转移进行了研究, 结果显示, Cu在TaN (111) 表面的吸附强度随着Cu覆盖度的增加而减弱.利用从头算分子动力学模拟了500K温度下Cu单分子层在TaN (111) 表面的吸附动力学行为, 结果表明, 在这一典型的ALD温度下, Cu层在TaN (111) 表面发生团聚, 与实验中的观察结果相符.      

导电、导磁聚苯胺纳米复合物的合成与表征

在纳米Fe₃O₄晶体粒子存在的情况下, 用十二烷基苯磺酸钠(SDBS)作乳化剂及分散剂, 通过HCl调节体系的酸度, 合成了导电、导磁的Fe₃O₄-聚苯胺(Fe₃O₄-PANI)纳米复合物, 用X-衍射(XRD)、透射电子显微镜(TEM)、傅立叶红外(FT-IR)等对该复合物进行了表征, 结果显示: SDBS与HCl发生竞争掺杂行为, 复合物的组成为Fe₃O₄-PANI-DBSA, Fe₃O₄平均粒径约13 nm, 且均匀分布在聚苯胺基体中, 该复合物具有较好的导电性及导磁性, 随着纳米Fe₃O₄含量由7.79%增加到35.34%, 复合物的电导率由1.71 S/m下降至0.41 S/m, 复合物的比饱和磁化强度σ_s则由6.14 A·m2/kg增加到18.11 A· m2/kg, 其矫顽力在0.52~0.73 A/m之间.      

Influences of the Clearness Index on UV Solar Radiation for Two Locations in the Tibetan Plateau——Lhasa and Haibei

Ultraviolet (UV) solar radiation has a significant influence on human health, the environment and climate. A series of measurements, including UV radiation (290-400 nm) and global solar radiation (Rs), were continuously recorded from August 2004 at the Lhasa and Haibei sites on the Tibetan Plateau. Both observation sites' altitudes are above 3000 m and have similar meteorological conditions. The data from 2005-2006 was used to identify the varying characteristics of UV radiation. It's relation to the clearness index Ks, the relative optical mass mr, and Rs were established. The annual mean values of total daily UV radiation are 0.92 and 0.67 MJ m-2 at Lhasa and Haibei, respectively. The UV radiation in Lhasa represented 4.6% of the global solar radiation while in Haibei this percentage was 4.2%. In the case of clear days (Ks > 0.8), these percentages ranged between 4.0% and 4.5% in Lhasa and between 5.1% and 5.5% in Haibei. In the case of cloudy days (Ks < 0.4), these percentages ranged from 4.4% to 6.8% in Lhasa and from 5.1% to 5.5% in Haibei. The maximum values of UV radiation for each relative optical mass diminished exponentially with mr. Thus, for Lhasa and Haibei, UV=46.25m-r 1.29, and UV=51.76m-r 1.42, respectively. The results of this study can be used to obtain more UV radiation data for the study of UV climate characteristics, the effects of UV on ecological processes and the feedback of the thinning of the stratospheric ozone, from more routine measurements Rs data.     

交互四元体系Li~+,Mg~(2+)//SO_4~(2-),B_4O_7~(2-)-H_2O 288K时相平衡研究

采用等温溶解平衡法研究了288K时Li+,Mg2+//SO42-,B4O72--H2O四元体系的固液相平衡关系,测定了该四元体系在288K时平衡液相的溶解度和密度。依据实验测定的平衡溶解度数据及对应的平衡固相,绘制了该四元体系的平衡相图及密度组成图。研究结果表明:交互四元体系Li+,Mg2+//SO42-,B4O27--H2O288K时平衡相图中有2个共饱点,5条单变量曲线,4个结晶区对应的平衡固相分别为Li2B4O7.3H2O,Li2SO4.H2O,MgB4O7.9H2O和MgSO4.7H2O。     

ASSESSMENT OF THE EFFECTIVE RANK OF A (CO)VARIANCE MATRIX: A NON-PARAMETRIC GOODNESS-OF-FIT TEST

Each eigenvector of the dispersion matrix[X]~T[X]was shown to be a partial predictor of the originaldata matrix [X],the sum of the predictions from the individual principal components being equal to theexpectance of [X].By comparing the distributions of the members of two neighbouring predictedmatrices,[X]_(1...i)and [X](1...i+1)(i.e.the sums of the first i and i+1 individual predictions respectively),it was shown that they should be indistinguishable provided that i is equal to or greater than the effectiverank of [X],and significantly different otherwise.This was confirmed by analysing the visible absorptionspectra of methyl orange and methyl red solutions as well as the Raman spectra of Na_2SO_4 and MgSO_4solutions.On the grounds of these findings,a non-parametric goodness-of-fit test for assessing theeffective rank of[X]was proposed which proved to be comparatively conservative and more robust thanmost currently used tests.     

出现于β-A1_2TiO_5的固相合成及热分解过程中的待定归属相

在由-αA l2O3和T iO2合成-βA 12T iO5时,文献报道有待定归属相(称作x相)先于-βA 12T iO5出现在煅烧后的混合物内,该x相表现出中间产物相特征,据说它在混合物内的含量随煅烧温度升高而增大,1 400℃时出现-βA 12T iO5,且x相与未转化反应物均转变成-βA 12T iO5。研究煅烧共凝胶法前驱体制备-βA 12T iO5的固相反应以及-βA 12T iO5的热分解过程,以了解该待定归属相的生成、演变规律。同文献报道的x相相比该相的初始生成温度、转化为-βA 12T iO5的温度均有明显降低,1 150℃煅烧共凝胶法前驱体所获产物的XRD图谱(18°≤2θ≤58°)内出现3个归属该x相的衍射峰,它们的峰中心分别位于2θ=41.2,°44.0,°24.9°(按相对峰强大小排列)。M gO掺杂使该x相与少量-βA 12T iO5相共同出现于1 150℃及1 200℃煅烧物内。1 250℃煅烧使该相失稳,转变为-βA 12T iO5,同时使未转化的金红石、-αA l2O3完成固相反应。对比表明x相的转变温度具有阈值特征,前驱体的微细化使之大大降低。本研究首次发现,伴随-βA 12T iO5在1 100℃下的热分解,该待定归属相重新出现,说明该相随热过程条件改变具有生成-消亡-重新生成的可逆性。它的消亡及重新生成体现出同-βA 12T iO5此消彼长的相关性。它应该是除-βA 12T iO5、A 12T i7O15以外的第三种铝、钛复合氧化物。     

尾矿中绢云母回收试验研究

经对尾矿中绢云母试验研究，确定尾矿中回收绢云母的工艺采用先粗选后浮选的方法，同时加入捕收剂BK，抑制剂B—1和B—2，使绢云母的纯度达到98％，尾矿中绢云母产出率为6％。     

青藏高原腹地湖泊沉积纪录的“仙女木期”古气候颤动事件

通过对青藏高原腹地钻孔岩心剖面的最新研究,用层序地层学与年代地层学和气候地层学相结合的方法,分辨出可可西里地区苟弄措湖泊沉积记录(孔深7.25 m)约30 ka BP以来的古气候变化,并在孔深3.32～1.98 m处识别出“仙女本期”的3个气候颤动事件,即:①老仙女术事件(孔深3.32～2.62 m);②中仙女本事件(孔深2.62～2.43 m);③新仙女本事件(孔深2.43～1.98 m)。这3个气候颤动事件都是以冷干时段开始、以冷湿时段结束的,并有越向后期其冷干的时段越长的变化趋势,而其后的冷湿时段却具有等时的变化趋势。岩心沉积物的有机碳、有机氮和磁化率以及化学元素含量的变化,都与仙女本期气候变化具有十分吻合的变化态势。仙女术期气候在湖泊沉积物中的响应,在青藏高原环境演化中还是首次发现,为研究第四纪末次冰期冰消期以来的气候变化提供了新的信息。     

STRUCTURAL FEATURES OF THE MEIYU FRONT SYSTEM

A new subtropical front near the periphery of the West Pacific subtropical anticyclone isfound,which is never revealed in previous studies.The coupling of the subtropical front andMeiyu front forms a Meiyu front system (MFS) and is the most direct synoptic system for theMeiyu precipitation along the Mid-lower Reaches of Yangtze River (MRYR) in China.In thispaper.The detailed structural features and cloud features of the MFS in 1998 and 1999 areanalyzed,which manifests that the MFS is an objective phenomenon over the period of Meiyu alongMRYR and the Southwest Japan.Generally.the subtropical front is mainly located between 850hPa and 500 hPa.The moist southwest monsoon is transported in the passageway between theMeiyu front and the subtropical front.The vertical motion ascends in the passageway and descendson both sides of the MFS.forming the MFS's secondary circulation.A lower TBB band indicatedthat obvious convective activities are also located in the passageway of MFS.The horizontal windof MFS is vertically asymmetric.